Geometry & MOs

Info

ID:	287458
PubChem CID:	104242724
Reduced:	FSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	4.53
IP(EA), eV:	-8.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=NC(=N2)CSC3=CC=C(C=C3)F)N

DOS

IR

Vibrations